methyl 1-(4-methylphenyl)sulfonyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxylate

Systemtic Name: methyl 1-(4-methylphenyl)sulfonyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxylate Openeye Name: methyl 1-(p-tolylsulfonyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-6-(trifluoromethyl)-3-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylphenyl)sulfonyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxylate Traditional Name: 1-tosyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester Formula: C17H13F3N2O4S MolecularWeight: 398.35633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=C(C=C3)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=C(C=C3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C17H13F3N2O4S/c1-10-3-5-11(6-4-10)27(24,25)22-9-13(16(23)26-2)12-7-8-14(17(18,19)20)21-15(12)22/h3-9H,1-2H3